UCSF

ZINC32022172

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.65 2.93 -20.52 2 5 0 75 296.392 7
Hi High (pH 8-9.5) 1.65 2.54 -47.36 1 5 -1 77 295.384 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )